Tegaserod
C16H23N5O
145158-71-0 Copyright (C) 2024 ACS
 22 23  0  0  0  0  0  0  0  0999 V2000
    6.7052    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0390    4.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.4261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0400    3.4261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    5.7362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3738    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7075    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0411    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3748    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7086    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    0.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647    3.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    4.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4886    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    6.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278    4.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2105    5.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    2.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <cas.rn>
145158-71-0

> <cas.index.name>
Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-

> <molecular.formula>
C16H23N5O

> <molecular.weight>
301.39

> <boiling.point.predicted>
470.556±48.00 °C    Press: 760.00 Torr

> <density.predicted>
1.189±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.807±0.30    Most Acidic Temp: 25 °C

$$$$
